Merge pull request #3086 from RosettaCommons/vmullig/fix_betanov16_metals_issue
Fix issue with beta_nov16 scorefunction and -auto_setup_metals
This pull request addresses issue #3066. The problem is that when -auto_setup_metals strips off a proton from a residue that coordinates a metal, the hydroxyl torsional potential chokes because it expects that proton to be there. This adds a simple check that all the relevant atoms are, indeed, present.
Bug found independently by @senord25 and @aroy10.
Tasks:
- [x] Fix the bug.
- [x] Unit test.
- [x] Beauty.